SCHEMBL9735809

SCHEMBL9735809

COCC1(C)C=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTPRC P08575 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
S100A4 P26447 1/20 0.33
RECQL P46063 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9736934 0.85 NPSR1 (0.33) MAPT
SCHEMBL7268307 0.84 ALDH1A1 (0.39) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL9194883 0.82 PDE4A (0.36) HTR1ACYP3A4
SCHEMBL9736905 0.81 ALOX5 (0.39) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL9735586 0.81 F10 (0.39) ALDH1A1
SCHEMBL8128550 0.81 ALDH1A1 (0.36) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL9737279 0.79 CHRM2 (0.34) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL8090151 0.78 ALDH1A1 (0.36) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL8090555 0.78 TDP1 (0.37) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL9735458 0.77 NR1H4 (0.39) MEN1KMT2AALDH1A1MAPTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed